2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfinylacetamide

C23H30FNO3S — CID 153389582

IUPAC2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfinylacetamide
SMILESCC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)c1cccc(C(C)(C)O)c1
InChIInChI=1S/C23H30FNO3S/c1-14(2)19-11-17(24)12-20(15(3)4)21(19)13-22(26)25-29(28)18-9-7-8-16(10-18)23(5,6)27/h7-12,14-15,27H,13H2,1-6H3,(H,25,26)
InChIKeyJNQBYPZRAPRZHV-UHFFFAOYSA-N
MW419.56 g/mol
LogP4.68
Rot. Bonds7

About 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfinylacetamide

2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfinylacetamide (PubChem CID 153389582) has the molecular formula C23H30FNO3S and a molecular weight of 419.56 g/mol. Its IUPAC name is 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfinylacetamide.

Molecular Properties

Compound Name2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfinylacetamide
PubChem CID153389582
Molecular FormulaC23H30FNO3S
Molecular Weight419.56 g/mol
Exact Mass419.19
IUPAC Name2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfinylacetamide
SMILESCC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)c1cccc(C(C)(C)O)c1
InChIInChI=1S/C23H30FNO3S/c1-14(2)19-11-17(24)12-20(15(3)4)21(19)13-22(26)25-29(28)18-9-7-8-16(10-18)23(5,6)27/h7-12,14-15,27H,13H2,1-6H3,(H,25,26)
InChIKeyJNQBYPZRAPRZHV-UHFFFAOYSA-N
XLogP4.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.56
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[(Z)-3-aminoprop-2-enylidene]amino]phenyl]sulfinyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
CID 153389667
N-[3,5-bis(2-hydroxypropan-2-yl)phenyl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
CID 138574785
ethane;2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[[5-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazol-2-yl]sulfinyl]acetamide
CID 145387567
N-[(E)-1-amino-4-hydroxy-4-methyl-3-methyliminopent-1-enyl]sulfinyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide
CID 153389606
2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[4-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylacetamide
CID 155464161
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(hydroxymethyl)-4-(2-hydroxypropan-2-yl)phenyl]sulfanylacetamide
CID 145387580
ethane;2-(3-methylsulfinylphenyl)propan-2-ol
CID 143801460
2-[2,6-di(propan-2-yl)phenyl]-N-[4-(2-hydroxypropan-2-yl)phenyl]sulfanylacetamide
CID 145387579
2-[3-fluoro-6-[5-[5-fluoro-3-[5-[5-fluoro-2-[2-[[3-(2-hydroxypropan-2-yl)-5-methylphenyl]sulfonylamino]-2-oxoethyl]-3-propan-2-ylphenyl]hexan-2-yl]-2-[2-[[3-(2-hydroxypropan-2-yl)-2-methylphenyl]sulfonylamino]-2-oxoethyl]phenyl]hexan-2-yl]-2-propan-2-ylphenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfonylacetamide
CID 153389750
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[4-(2-hydroxypropan-2-yl)-5-methylthiophen-2-yl]sulfanylacetamide
CID 167253887
2-[4-(2,3-dihydro-1H-inden-2-yl)-2,6-di(propan-2-yl)phenyl]-N-[4-[(dimethylamino)methyl]phenyl]sulfinylacetamide
CID 167148482
methyl 3-[[2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetyl]sulfamoylmethyl]benzoate
CID 164820756

Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfinylacetamide?
The IUPAC name of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfinylacetamide (CID 153389582) is 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfinylacetamide.
What is the SMILES notation for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfinylacetamide?
The canonical SMILES for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfinylacetamide is CC(C)c1cc(F)cc(C(C)C)c1CC(=O)NS(=O)c1cccc(C(C)(C)O)c1.
What is the InChIKey of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfinylacetamide?
The InChIKey is JNQBYPZRAPRZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO3S/c1-14(2)19-11-17(24)12-20(15(3)4)21(19)13-22(26)25-29(28)18-9-7-8-16(10-18)23(5,6)27/h7-12,14-15,27H,13H2,1-6H3,(H,25,26).
What are the key properties of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfinylacetamide?
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfinylacetamide has a molecular weight of 419.56 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfinylacetamide is sourced from PubChem (CID 153389582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).